
 SCHEMBL3610842

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.1398    0.0979   -0.0649 C   0  0  0  0  0
   -0.2725   -1.1507    0.0076 C   0  0  0  0  0
    1.1090   -0.6457   -0.1091 N   0  0  0  0  0
    0.9846    0.6221    0.0831 C   0  0  0  0  0
   -0.2452    1.1661    0.2145 O   0  0  0  0  0
    1.9770    1.5271    0.1350 N   0  0  0  0  0
   -0.6380   -2.1805   -1.0385 C   0  0  0  0  0
   -1.6791   -3.0906   -0.7892 C   0  0  0  0  0
   -2.0337   -4.0354   -1.7523 C   0  0  0  0  0
   -1.3716   -4.0899   -2.9699 C   0  0  0  0  0
   -0.3459   -3.1929   -3.2280 C   0  0  0  0  0
    0.0228   -2.2418   -2.2771 C   0  0  0  0  0
    0.2998   -3.2286   -4.4018 F   0  0  0  0  0
   -1.7236   -4.9986   -3.8905 F   0  0  0  0  0
   -3.0302   -4.8917   -1.4881 F   0  0  0  0  0
   -1.5852    0.2674   -1.0517 H   0  0  0  0  0
   -1.9419    0.0801    0.6800 H   0  0  0  0  0
   -0.3604   -1.6133    1.0000 H   0  0  0  0  0
    1.7064    2.4732   -0.0967 H   0  0  0  0  0
    2.8474    1.2127   -0.2739 H   0  0  0  0  0
   -2.2192   -3.0812    0.1543 H   0  0  0  0  0
    0.8349   -1.5574   -2.5111 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 18  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  6 19  1  0  0  0
  6 20  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  9 10  2  0  0  0
  9 15  1  0  0  0
 10 11  1  0  0  0
 10 14  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 22  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3610842

>  <PubChem CID>
24966464

>  <Formula>
C9H7F3N2O

>  <Molecular Weight>
216.163000

>  <IUPAC Name>
(4S)-4-(3,4,5-trifluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1C(N=C(O1)N)C2=CC(=C(C(=C2)F)F)F

>  <Isomeric SMILES>
C1[C@@H](N=C(O1)N)C2=CC(=C(C(=C2)F)F)F

>  <InChI Std. ID>
InChI=1S/C9H7F3N2O/c10-5-1-4(2-6(11)8(5)12)7-3-15-9(13)14-7/h1-2,7H,3H2,(H2,13,14)/t7-/m1/s1

>  <InChI Key>
BEKYPYLXHFMSDA-SSDOTTSWSA-N

